### Running QR for more excited states

Posted:

**24 Jan 2020, 17:04**Dear All,

I know the manual says that I cannot restart quadratic response calculations for calculations that require excitation energies, e.g. with

.TWO_PHOTON.

Nevertheless, maybe there is a way around to do the following. If I have finished QR calculations for let's say 5 excited states I want

to calculate 5 more but I don't want to start from scratch, but rather use those 5 converged response vectors. I tried to use RSPVEC file

from linear response calculations for converged 10 excited states, but I keep on getting this error

"FATAL ERROR: .QRREST is not possible for quadratic properties involving residues (i.e. excitation energies)"

Is it possible at all somehow to save the computational time here?

I know the manual says that I cannot restart quadratic response calculations for calculations that require excitation energies, e.g. with

.TWO_PHOTON.

Nevertheless, maybe there is a way around to do the following. If I have finished QR calculations for let's say 5 excited states I want

to calculate 5 more but I don't want to start from scratch, but rather use those 5 converged response vectors. I tried to use RSPVEC file

from linear response calculations for converged 10 excited states, but I keep on getting this error

"FATAL ERROR: .QRREST is not possible for quadratic properties involving residues (i.e. excitation energies)"

Is it possible at all somehow to save the computational time here?